5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

C19H21N7 — CID 155528338

IUPAC5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cccnc4)c3)CC2)c(N)n1
InChIInChI=1S/C19H21N7/c20-18-17(13-23-19(21)24-18)26-9-7-25(8-10-26)16-5-1-3-14(11-16)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H4,20,21,23,24)
InChIKeyOAYHPOKXENQPKH-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.03
Rot. Bonds3

About 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 155528338) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID155528338
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cccnc4)c3)CC2)c(N)n1
InChIInChI=1S/C19H21N7/c20-18-17(13-23-19(21)24-18)26-9-7-25(8-10-26)16-5-1-3-14(11-16)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H4,20,21,23,24)
InChIKeyOAYHPOKXENQPKH-UHFFFAOYSA-N
XLogP2.03
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

SB-220025
CID 5164
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
Fanotaprim
CID 134812633
Tt-301
CID 54576073
VK-19911
CID 9797240
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 155528338) is 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is Nc1ncc(N2CCN(c3cccc(-c4cccnc4)c3)CC2)c(N)n1.
What is the InChIKey of 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is OAYHPOKXENQPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c20-18-17(13-23-19(21)24-18)26-9-7-25(8-10-26)16-5-1-3-14(11-16)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H4,20,21,23,24).
What are the key properties of 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 347.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 155528338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).